N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C11H21N3 — CID 121442678

IUPACN-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1C(C)C
InChIInChI=1S/C11H21N3/c1-5-6-14(4)8-10-7-12-13-11(10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyZGGIWMJGDTTZQZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 121442678) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID121442678
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1C(C)C
InChIInChI=1S/C11H21N3/c1-5-6-14(4)8-10-7-12-13-11(10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyZGGIWMJGDTTZQZ-UHFFFAOYSA-N
XLogP2.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 121442678) is N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is CCCN(C)Cc1cn[nH]c1C(C)C.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZGGIWMJGDTTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-14(4)8-10-7-12-13-11(10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 121442678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).